Information card for entry 7013408

Structure parameters

• Formula: C10 H18 Cu N6 S2
• Calculated formula: C10 H18 Cu N6 S2
• SMILES: [Cu]123[N](=C(C(C)=[N]3N=C(S1)N(C)C)C)N=C(S2)N(C)C
• Title of publication: Structural trends in copper(II) bis(thiosemicarbazone) radiopharmaceuticals
• Authors of publication: Blower, Philip J.; Castle, Thomas C.; Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Labisbal, Elena; Sowrey, Frank E.; Teat, Simon J.; Went, Michael J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4416 - 4425
• a: 7.3791 ± 0.0003 Å
• b: 8.502 ± 0.0004 Å
• c: 11.9417 ± 0.0005 Å
• α: 104.281 ± 0.002°
• β: 97.775 ± 0.002°
• γ: 90.63 ± 0.002°
• Cell volume: 718.59 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.6904 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No